5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine

C15H25N3 — CID 113424089

IUPAC5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H25N3/c1-4-17-14-8-15(10-16-9-14)18-13-6-11(2)5-12(3)7-13/h8-13,17-18H,4-7H2,1-3H3
InChIKeyIIKAKBQOUNPPRB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.75
Rot. Bonds4

About 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine

5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 113424089) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID113424089
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H25N3/c1-4-17-14-8-15(10-16-9-14)18-13-6-11(2)5-12(3)7-13/h8-13,17-18H,4-7H2,1-3H3
InChIKeyIIKAKBQOUNPPRB-UHFFFAOYSA-N
XLogP3.75
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 104531796
3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
CID 104533446
3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine
CID 113480725
N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
CID 107587637
3-N-ethyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3,5-diamine
CID 113424144
3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
CID 104535082
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
5-bromo-N-(3-ethylcyclobutyl)pyridin-3-amine
CID 130978854
5-N-ethylpyridine-3,5-diamine
CID 104532571
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
CID 104534251

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine (CID 113424089) is 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(NC2CC(C)CC(C)C2)c1.
What is the InChIKey of 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is IIKAKBQOUNPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-17-14-8-15(10-16-9-14)18-13-6-11(2)5-12(3)7-13/h8-13,17-18H,4-7H2,1-3H3.
What are the key properties of 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 113424089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).